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At least 325 records · Page 18

Cation and anion topotactic transformations in cobaltite thin films leading to Ruddlesden-Popper phases.

Topotactic transformations involve structural changes between related crystal structures due to a loss or gain of material while retaining a crystallographic relationship. The perovskite oxide La0.7Sr0.3CoO3 (LSCO) is an ideal system for investigating phase transformations due to its high oxygen vacancy conductivity, relatively low oxygen vacancy formation energy, and strong coupling of the magnetic and electronic properties to the oxygen stoichiometry. While the transition between cobaltite perovskite and brownmillerite (BM) phases has been widely reported, further reduction beyond the BM phase lacks systematic studies. In this paper, we study the evolution of the physical properties of LSCO thin films upon exposure to highly reducing environments. We observe the rarely reported crystalline Ruddlesden-Popper phase, which involves the loss of both oxygen anions and cobalt cations upon annealing where the cobalt is found as isolated Co ions or Co nanoparticles. First-principles calculations confirm that the concurrent loss of oxygen and cobalt ions is thermodynamically possible through an intermediary BM phase. The strong correlation of the magnetic and electronic properties to the crystal structure highlights the potential of utilizing ion migration as a basis for emerging applications such as neuromorphic computing.

Chiu, I-Ting↗

Playing Nonlocal Games across a Topological Phase Transition on a Quantum Computer

Many-body quantum games provide a natural perspective on phases of matter in quantum hardware, crisply relating the quantum correlations inherent in phases of matter to the securing of quantum advantage at a device-oriented task. In this Letter, we introduce a family of multiplayer quantum games for which topologically ordered phases of matter are a resource yielding quantum advantage. Unlike previous examples, quantum advantage persists away from the exactly solvable point and is robust to arbitrary local perturbations, irrespective of system size. We demonstrate this robustness experimentally on Quantinuum’s H1-1 quantum computer by playing the game with a continuous family of randomly deformed toric code states that can be created with constant-depth circuits leveraging midcircuit measurements and unitary feedback. We are thus able to tune through a topological phase transition—witnessed by the loss of robust quantum advantage—on currently available quantum hardware. This behavior is contrasted with an analogous family of deformed Greenberger-Horne-Zeilinger states, for which arbitrarily weak local perturbations destroy quantum advantage in the thermodynamic limit. Lastly, we discuss a topological interpretation of the game, which leads to a natural generalization involving an arbitrary number of players.

97 MATHEMATICS AND COMPUTING↗

High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant

The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.

3D printing↗

Maximum a posteriori decoder for digital communications

A system and method for decoding by identification of the most likely phase coded signal corresponding to received data. The present invention has particular application to communication with signals that experience spurious random phase perturbations. The generalized estimator-correlator uses a maximum a posteriori (MAP) estimator to generate phase estimates for correlation with incoming data samples and for correlation with mean phases indicative of unique hypothesized signals. The result is a MAP likelihood statistic for each hypothesized transmission, wherein the highest value statistic identifies the transmitted signal.

Altes, Richard A.↗

J eff = $\frac{3}{2}$ metallic phase and unconventional superconductivity in GaTa 4 Se 8

By means of density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations and resonant inelastic x-ray scattering (RIXS) experiments, we investigate the high-pressure phases of the spin-orbit-coupled Jeff = 3/2 insulator GaTa 4 Se 8 . Its metallic phase, derived from the Mott state by applying pressure, is found to carry J eff = 3/2 moments. The characteristic excitation peak in the RIXS spectrum maintains its destructive quantum interference of J eff at the Ta L2-edge up to 10.4 GPa. Our exact diagonalization based DFT+DMFT calculations including spin-orbit coupling also reveal that the J eff = 3/2 character can be clearly identified under high pressure. These results establish the intriguing nature of the correlated metallic magnetic phase, which represents the first confirmed example of J eff =3/2 moments residing in a metal. They also indicate that the pressure-induced superconductivity is likely unconventional and influenced by these J eff = 3/2 moments. Based on a self-energy analysis, we furthermore propose the possibility of doping-induced superconductivity related to a spin-freezing crossover.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Heterogeneous microstructure of yttrium hydride and its relation to mechanical properties

Here, the goal of this study is to investigate the properties of yttrium hydride materials in relation to the microstructure, especially its homogeneity. High-throughput nanoindentation mapping was used to evaluate hardness distribution. Raman spectral imaging demonstrated its sensitivity to the presence of YH2 and impurities. Raman peak position maps were correlated with residual stress in the specimens. Electron backscatter diffraction mapping provided phase distributions with correlation to high-energy X-ray diffraction analysis. The experimental mapping data were combined and analyzed using unsupervised machine learning cluster procedures. The machine learning analysis revealed that yttrium hydride specimens contained a major δ-YH2 – x phase component and minor α-Y and δ-YH2 – x components with significant residual stress. The minor phase fraction decreased with increasing nominal H/Y ratio, which affected the nanoindentation and Vickers hardness. The multimodal mapping procedures described herein affect developing important microstructure–property relationships, as well as correlations in heterogeneity and mechanical properties.

36 MATERIALS SCIENCE↗

Copernicus observations of Ly-alpha and Mg II emission from HR 1099 /V711 Tauri/ and UX Ari

Ultraviolet observations of two RS CVn binaries obtained with Copernicus are described. High-resolution (0.05 A) U1 observations indicate that both HR 1099 and UX Ari display broad Ly-alpha emission. The Ly-alpha emission strength from HR 1099 is variable and seems to be correlated with orbital phase, while the UX Ari results indicate no significant variation. Moderate resolution (0.51 A) V2 scans of both systems show variable Mg II h and k emission-line profiles which usually matched the velocity of the more active star in each binary. Additionally, displaced emission components were seen at velocities of up to + or - 250 km/s, indicative of high-velocity gas motions. The radial velocities of these emission features from HR 1099 are marginally correlated with orbital phase. Highly active and variable chromospheric phenomena are found to be the most consistent explanation of these results.

Weiler, E. J.↗

A timed-correlated four-link Doppler Tracking system

Phase perturbations that occur in the following components of the one and two-way systems are considered: (1) one-way system (signal from A to B): station a oscillator - transmitter A antenna A - signal path - antenna B - receiver B station B oscillator - recording system B; (2) two-way system (signal from A to B back to A): station A oscillator - transmitter A - antenna A - signal path up - antenna B - transponder B - antenna B - signal path down - receiver A - station A oscillator - recording system A. A symmetrical one- and two-way system which can identify the place of origin of the fluctuation and quantify it so as to recover the unperturbed phase at a given moment of time by time-correlating the phase fluctuations obtained in the one- and two-way data taken at both stations is described

Vessot, R. F. C.↗

Flight- and ground-test correlation study of BMDO SDS materials: Phase 1 report

The NASA Evaluation of Oxygen Interactions with Materials-3 (EOIM-3) experiment served as a test bed for a variety of materials that are candidates for Ballistic Missile Defense Organization (BMDO) space assets. The materials evaluated on this flight experiment were provided by BMDO contractors and technology laboratories. A parallel ground exposure evaluation was conducted using the FAST atomic-oxygen simulation facility at Physical Sciences, Inc. The EOIM-3 materials were exposed to an atomic oxygen fluence of approximately 2.3 x 10(exp 2) atoms/sq. cm. The ground-exposed materials' fluence of 2.0 - 2.5 x 10(exp 2) atoms/sq. cm permits direct comparison of ground-exposed materials' performance with that of the flight-exposed specimens. The results from the flight test conducted aboard STS-46 and the correlative ground exposure are presented in this publication.

Chung, Shirley Y.↗

Multipath noise reduction spread spectrum signals

The concepts of early-prompt delay tracking, multipath correction of early-prompt delay tracking from correlation shape, and carrier phase multipath correction are addressed. In early-prompt delay tracking, since multipath is always delayed with respect to the direct signals, the system derives phase and pseudorange observables from earlier correlation lags. In multipath correction of early-prompt delay tracking from correlation shape, the system looks for relative variations of amplitude across the code correlation function that do not match the predicted multipath-free code cross-correlation shape. The system then uses deviations from the multipath-free shape to infer the magnitude of multipath, and to generate corrections pseudorange observables. In carrier phase multipath correction, the system looks for variations of phase among plural early and prompt lags. The system uses the measured phase variations, along with the general principle that the multipath errors are larger for later lags, to infer the presence of multipath, and to generate corrections for carrier-phase observables.

Meehan, Thomas K.↗

4D-STEM Coupled with Unsupervised Machine Learning to Reveal at Large-Scale the Microstructural Evolution in Li- and Mn-Rich Cathodes

Li- and Mn-rich (LMR) layered oxides are known to exhibit a thin surface reconstruction layer, which grows during electrochemical cycling in a manner that depends on exposed crystallographic facets, cycling conditions, and electrolyte chemistry. Direct characterization of this layer has traditionally relied on high-resolution electron microscopy, which is inherently limited to small fields of view. Here, we employ four-dimensional scanning transmission electron microscopy (4D-STEM) combined with unsupervised machine-learning clustering to quantitatively map phase distributions over large areas and track their evolution in LMR cathodes during electrochemical aging. Our results show that the surface reconstruction layer consists predominantly of a rocksalt phase, whose thickness varies across different facets following activation cycling and becomes substantially thicker and more uniform during calendar aging. In contrast, a spinel-like phase is observed within the particle bulk. Large-area phase mapping and correlative high-resolution imaging reveal that this spinel-like phase preferentially nucleates at bulk crystallographic defects, including boundaries between 60°-rotated layered domains and associated mixed-phase regions, rather than exclusively at the particle surface. Our findings establish a mechanistic distinction between surface-driven rocksalt formation and bulk-defect-mediated spinel nucleation while demonstrating the unique capability of 4D-STEM to provide statistically robust, mesoscale insight into complex phase-evolution processes in LMR cathodes.

4D-STEM↗

High Fidelity CFD Simulations Supporting the KP-FHR

Kairos Power, LLC, is developing its version of the Fluoride-cooled High-temperature Reactor, the KP-FHR. The design uses a pebble bed core with fluoride salt as a coolant. The pebbles used in the KP-FHR have a diameter of 4 cm, with a shell fuel region where TRISO particles are embedded. A Pebble bed core design is adopted by several Gen IV reactors, They boast many benefits, such as fuel integrity, highly efficient heat transfer, and passive safety. However, it is challenging to accurately predict temperature and flow inside a pebble bed. Traditional approaches use the porous media model, which regards the pebble bed as a continuous medium, but with different temperature fields representing different levels, such as the fluid temperature, pebble surface temperature, and pebble center temperature. Empirical heat transfer correlations are adopted to calculate the heat transfer coefficient between different phases. However, empirical correlations are usually validated with experimental data, which usually lacks detail inside the pebble bed. The available experimental data is also generally at a high Reynolds number, which falls outside of the conditions of KP-FHR. Explicit computational fluid dynamics (CFD) simulations of randomly packed pebble beds have only become feasible recently. This is thanks to the rapid development of computational power and scalable algorithms. In this work, we used the Spectral Element Method (SEM) CFD code NekRS to simulate the randomly packed pebble bed in a cylindrical container. NekRS, which is the GPU variant of Nek5000, but refactored to utilize the computational power of GPUs using the OCCA library to run on hybrid architecture high performance computing systems. It was initially developed with the libParamunal library, but truncated and tuned for large-scale turbulence simulation. As a result, the SEM reaches higher precision with the same degrees of freedom by using a high-order Lagrange polynomial basis distributed on Gauss-Lobatto-Legendre quadrature inside each element, compared to lower-order methods, such the Finite Volume Method and Finite Element Method. The report is divided into five parts. We start with a general discussion of the pebble bed reactor, along with a specific investigation into the KP-FHR. The second part presents the numerical methodology. In the third part, we study a modular pebble bed with 1741 pebbles in a container of 7 pebble-diameter radius. Beyond LES simulations done by NekRS, we also leveraged the thermal radiation model in OpenFOAM to study heat transfer under no-forced-flow scenarios. Then, in the fourth part we simulated a pebble bed similar to the size of the Hermes Test Reactor. The total number of pebbles is in these simulations is 34,374. The container radius is 14 pebble-diameters. Finally, the report concludes in part five, with a discussion of future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Spectral Index and Quasi-Periodic Oscillation Frequency Correlation in Black Hole Sources: Observational Evidence of Two Phases and Phase Transition in Black Holes

Recent studies have shown that strong correlations are observed between the low frequencies (1-10 Hz) of quasi-periodic oscillations (QPOs) and the spectral power law index of several black hole (BH) candidate sources, in low (hard) states, steep power law (soft) states, and transitions between these states. The observations indicate that the X-ray spectra of such state (phases) show the presence of a power-law component and are sometimes related to simultaneous radio emission, indicating the probable presence of a jet. Strong QPOs (>20% rms) are present in the power density spectrum in the spectral range where the power-law component is dominant (i.e., 60%90%). This evidence contradicts the dominant, long-standing interpretation of QPOs as a signature of the thermal accretion disk. We present the data from the literature and our own data to illustrate the dominance of power-law index-QPO frequency correlations. We provide a model that identifies and explains the origin of the QPOs and how they are imprinted on the properties of the power-law flux component. We argue for the existence of a bounded compact coronal region that is a natural consequence of the adjustment of the Keplerian disk flow to the innermost sub-Keplerian boundary conditions near the central object and that ultimately leads to the formation of a transition layer (TL) between the adjustment radius and the innermost boundary. The model predicts two phases or states dictated by the photon upscattering produced in the TL: (1) a hard state, in which the TL is optically thin and very hot (kT approximately greater than 50 keV), producing photon upscattering via thermal Comptonization (the photon spectrum index Gamma approximates 1.7 for this state is dictated by gravitational energy release and Compton cooling in an optically thin shock near the adjustment radius), and (2) a soft state that is optically thick and relatively cold (kT approximately less than 5 keV the index for this state, Gamma approximates 2.8, is determined by soft-photon upscattering and photon trapping in a converging flow into the BH). In the TL model for the corona, the QPO frequency V(sub high) is related to the gravitational (close to Keplerian) frequency V(sub K) at the outer (adjustment) radius and v(sub low) is related to the TL's normal mode (magnetoacoustic) oscillation frequency v(sub MA) . The observed correlations between index and low and high QPO frequencies are readily explained in terms of this model. We also suggest a new method for evaluation of the BH mass using the index-frequency correlation.

Titarchuk, Lev↗

Transition to the Haldane phase driven by electron-electron correlations

One of the most famous quantum systems with topological properties, the spin S = 1 antiferromagnetic Heisenberg chain, is well-known to display exotic S = 1/2 edge states. However, this spin model has not been analyzed from the more general perspective of strongly correlated systems varying the electron electron interaction strength. Here, we report the investigation of the emergence of the Haldane edge in a system of interacting electrons – the two orbital Hubbard model—with increasing repulsion strength U and Hund interaction J H . We show that interactions not only form the magnetic moments but also form a topologically nontrivial fermionic many-body ground-state with zero-energy edge states. Specifically, upon increasing the strength of the Hubbard repulsion and Hund exchange, we identify a sharp transition point separating topologically trivial and nontrivial ground-states. Surprisingly, such a behaviour appears already at rather small values of the interaction, in a regime where the magnetic moments are barely developed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Correlation between ferroelectricity and ferroelectric orthorhombic phase of Hf x Zr 1-x O 2 thin films using synchrotron x-ray analysis

The change in the interplanar spacing ( d -spacing) including the ferroelectric orthorhombic (O) phase in the low-temperature fabricated Hf x Zr 1-x O 2 (HZO) films was studied using synchrotron grazing-incidence wide-angle x-ray scattering analysis. The 10-nm-thick HZO films were fabricated by thermal and plasma-enhanced atomic layer deposition (TH- and PE-ALD) methods using H 2 O gas and O 2 plasma as oxidants, respectively, and a post-metallization annealing (PMA) was performed at 300–400 °C. The d -spacing of the mixture of (111)-, (101)-, and (111)-planes of O, tetragonal (T), and cubic (C) phases, respectively, for the TH- and PE-ALD HZO films increased up to 2.99 Å with an increase in PMA temperature, while the d -spacing estimated by conventional x-ray diffraction was 2.92 Å regardless of the PMA temperature. The remanent polarization (2 P r = P r + - P r - ) of the HZO films increased as the PMA temperature increased. It is clear that the 2 P r value satisfied a linear relationship as a function of the d -spacing of O(111)/T(101)/C(111) phases. Furthermore, the wake-up effect was found to depend on the ferroelectric O phase formation. The wake-up effect was significantly reduced in both the TH- and PE-ALD HZO films after the PMA at 400 °C due to the increase in the ferroelectric O phase formation. The leakage current density ( J )–electric field properties of the PE-ALD HZO film with the lowest d -spacing were divided into three steps, such as low, middle, and large J values, in the wake-up (10 3 cycles), pristine (10 0 cycle), and fatigue (10 7 cycles) states, respectively. Therefore, an analysis of the ferroelectric O phase is very important for understanding the ferroelectricity including endurance.

36 MATERIALS SCIENCE↗

Random fields from quenched disorder in an archetype for correlated electrons: The parallel spin stripe phase of La 1.6 – x Nd 0.4 Sr x CuO 4 at the 1/8 anomaly

The parallel stripe phase is remarkable both in its own right, and in relation to the other phases with which it coexists. Its inhomogeneous nature makes such states susceptible to random fields from quenched magnetic vacancies. Here we argue this is the case by introducing low concentrations of nonmagnetic Zn impurities (0%–10%) into La 1.6–x ⁢Nd 0.4⁢ Sr x ⁢CuO 4 (Nd-LSCO) with x=0.125 in single-crystal form, well below the percolation threshold of ~41% for a two-dimensional square lattice. Elastic neutron scattering measurements on these crystals show clear magnetic quasi-Bragg peaks at all Zn dopings. While all the Zn-doped crystals display order parameters that merge into each other and the background at ~68 K, the temperature dependence of the order parameter as a function of Zn concentration is drastically different. This result is consistent with meandering charge stripes within the parallel stripe phase, which are pinned in the presence of quenched magnetic vacancies. In turn it implies vacancies that preferentially occupy sites within the charge stripes, and hence that can be very effective at disrupting superconductivity in Nd-LSCO (x=0.125), and, by extension, in all systems exhibiting parallel stripes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Gravitational-wave signature of core-collapse supernovae

Here, we calculate the gravitational-wave (GW) signatures of detailed 3D core-collapse supernova sim ulations spanning a range of massive stars. Most of the simulations are carried out to times late enough to capture more than 95% of the total GW emission. We find that the f/g-mode and f-mode of proto-neutron star oscillations carry away most of the GW power. The f-mode frequency inex orably rises as the proto-neutron star (PNS) core shrinks. We demonstrate that the GW emission is excited mostly by accretion plumes onto the PNS that energize modal oscillations and also high frequency (“haze”) emission correlated with the phase of violent accretion. The duration of the major phase of emission varies with exploding progenitor and there is a strong correlation between the total GW energy radiated and the compactness of the progenitor. Moreover, the total GW emissions vary by as much as three orders of magnitude from star to star. For black-hole formation, the GW signal tapers off slowly and does not manifest the haze seen for the exploding models. For such failed models, we also witness the emergence of a spiral shock motion that modulates the GW emission at a frequency near ~100 Hertz that slowly increases as the stalled shock sinks. We find significant angular anisotropy of both the high- and low-frequency (memory) GW emissions, though the latter have very little power.

79 ASTRONOMY AND ASTROPHYSICS↗

Periodic Narrowband Radio Wave Emissions and Inward Plasma Transport at Saturn's Magnetosphere

The abrupt brightening of an Energetic Neutral Atom (ENA) blob or cloud has been interpreted as plasma injection in the Kronian magnetosphere (termed ENA injection herein). Morphologically, there appears to be two types of abrupt ENA cloud brightening: (1) the brightening of a large cloud usually seen at distances >10–12 R {sub s} (R {sub s} ∼ 60,268 km) in the midnight or postmidnight region; (2) the brightening of a smaller cloud usually seen at distances <10–12 R {sub s} around 21–03 magnetic local time. Among many radio waves observed at Saturn, type 2 ENA injections correlate best with the 5 kHz narrowband (NB) waves. Using Cassini Ion and Neutral Camera (INCA) and Radio and Plasma Wave Science (RPWS) data, we examine the periodicities of the type 2 ENA injections and the 5 kHz NB emissions as well as their cross-correlations, which have been previously used to measure the lag times or phase differences. Because correlational analysis can only establish linear relationships, we also use mutual information to establish linear and nonlinear relationships. On average, the peak of the 5 kHz NB emission lags those of the type 2 ENA injection by about a few minutes to 2 hr. The injection of hot plasma to the inner magnetosphere can lead to temperature anisotropy, which can generate electrostatic upper hybrid waves, which upon encountering the high-density gradient at the outer edge of the Enceladus density torus, can mode convert to Z mode and then to O mode. The 5 kHz NB waves commonly propagate in the O mode.

79 ASTRONOMY AND ASTROPHYSICS↗